2020-2021 / CHIM9288-1

Spectroscopy and statistical thermodynamics elements

Duration

30h Th, 20h QA Sess.

Number of credits

 Bachelor in chemistry4 crédits 

Lecturer

Bernard Leyh

Language(s) of instruction

French language

Organisation and examination

Teaching in the first semester, review in January

Schedule

Schedule online

Units courses prerequisite and corequisite

Prerequisite or corequisite units are presented within each program

Learning unit contents

The course consists of two parts:
(i) Spectroscopy: the course aims at completing the teaching started in the 2nd bachelor year introductory course. The quantum mechanical concepts taught in the theoretical chemistry course (Prof. F. Remacle) are the foundations for the present lectures. The following topics will be considered:

  • interaction between electromagnetic radiation and matter
  • principles and applications of lasers
  • atomic spectroscopy
  • rotational spectroscopy
  • infrared and Raman vibrational spectroscopy
  • molecular electronic spectroscopy
  • principles of two-dimensional nuclear magnetic resonance techniques
(ii) Introduction to statistical thermodynamics:
  • Basic Assumptions and Maxwell-Boltzmann statistics
  • Quantum statistics: Fermi-Dirac and Bose-Einstein
  • Applications of Maxwell-Boltzmann statistics
  • Transition state theory in chemical kinetics

Learning outcomes of the learning unit

At the end of the course, the students are expected to be able (i) to elaborate on the essential concepts developed in the theoretical lectures, (ii) to choose the appropriate spectroscopical method depending on the requested information, (iii) to interpret various atomic and molecular spectra of moderate complexity, and (iv) to use the tools of statistical thermodynamics to calculate state functions and equilibrium constants.

Prerequisite knowledge and skills

Knowledge of the basic concepts of mathematics (functions, derivatives, integrals, simple differential equations), physics and general chemistry, taught in the first two years of chemistry studies at ULiège, is required.

Planned learning activities and teaching methods

Exercice classes are organized in parallel with the theoretical lectures. They aim at favouring a deeper understanding and a better integrated knowledge of the theoretical framework.

Mode of delivery (face to face, distance learning, hybrid learning)

2 hour lectures per week organized during the first semester.
Exercise classes are also organized. The students are provided with the schedules for all these activities at the beginning of the academic year. They are also available on the web pages of the Faculty of Sciences: https://www.sciences.uliege.be/cms/c_4007918/fr/facsc-horaires

 

Organisational adjustments related to the current health context

Online course from 26 October 2020
Arrangements for remote evaluation in January 2020
The dispensatory test of December 2020 will not be organised and will be replaced by a formative assessment.
January session:
Open-book written distance-examination on problem solving. The "TEST" platform of e-campus will be used to communicate the questions. The examination will last 3h30'. The students will have to send a scanned version or good quality photos of their solutions to the teaching assistant and the lecturer within a period not exceeding 30 minutes after the end of the examination. The number of questions will be adapted to ensure that time is not a limiting factor.
Open-book oral examination by video-conferencing (maximum 40 minutes per student, with a short period of reflection not exceeding 20% of the overall duration of the examination). The students must be able to explain the differents concepts and reasonings involved in the course. Additional questions will be asked to assess the level of understanding of the students. The students will receive a Blackboard Collaborate link with their personal schedule. The camera of the student will have to be switched on during the examination. A Lifesize link will also be available in case of a technical problem.
August-September session:
Open-book written distance-examination on problem solving. The "TEST" platform of e-campus will be used to communicate the questions. The examination will last 3h30'. The students will have to send a scanned version or good quality photos of their solutions to the teaching assistant and the lecturer within a period not exceeding 30 minutes after the end of the examination. The number of questions will be adapted to ensure that time is not a limiting factor.
Open-book oral examination by video-conferencing (maximum 40 minutes per student, with a short period of reflection not exceeding 20% of the overall duration of the examination). The students must be able to explain the differents concepts and reasonings involved in the course. Additional questions will be asked to assess the level of understanding of the students. The students will receive a Blackboard Collaborate link with their personal schedule. The camera of the student will have to be switched on during the examination. A Lifesize link will also be available in case of a technical problem.

Recommended or required readings

Copies of powerpoint slides will be available. The following textbooks may be used as reference texts:
R. Kakkar, Atomic and Molecular Spectroscopy: Basic Concepts and Applications, Cambridge University Press (Cambridge, UK, 2015)
M. J. Hollas, Modern Spectroscopy, Wiley, 4th ed.,  (Chichester, UK, 2004)

Assessment methods and criteria

Below you will find information on the evaluation methods planned for in-person and remote exams as well as those planned for hybrid sessions. Depending on how the health crisis evolves, the chosen method will be communicated to you no later than one month before the start of the exam session.

Any session :

- In-person

written exam ( open-ended questions ) AND oral exam

- Remote

written exam ( open-ended questions ) AND oral exam

- If evaluation in "hybrid"

preferred remote


Additional information:

A written and oral examination on problem-solving and on the theoretical course takes place in January. A second examination period takes place in August-September.
The final grade takes all partial assessments into account.

Work placement(s)

Organizational remarks

Contacts

Bernard Leyh, Molecular Dynamics Laboratory, Builiding B6c, Office R77, Phone:04/3663425, E-Mail: Bernard.Leyh@uliege.be
Teaching assistant:
Vincent Natalis, vincent.natalis@uliege.be, Phone : 04/3663335